2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]ethyl-dimethyl-ammonium Formula: C17H27N4O4+ MolecularWeight: 351.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)NC1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](C)CCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H26N4O4/c1-20(2)8-7-18-17(23)19-12-9-16(22)21(11-12)13-5-6-14(24-3)15(10-13)25-4/h5-6,10,12H,7-9,11H2,1-4H3,(H2,18,19,23)/p+1/t12-/m0/s1